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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:22:06 UTC
Update Date2025-03-25 01:01:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02251933
Frequency0.5
Structure
Chemical FormulaC16H18O4S
Molecular Mass306.0926
SMILESO=S(=O)(O)OC(CCc1ccccc1)Cc1ccccc1
InChI KeyZZSIJAHSFTUCNH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclasslignans, neolignans and related compounds
ClassNot Available
Subclass lignans, neolignans and related compounds
Direct Parent lignans, neolignans and related compounds
Geometric Descriptor aromatic homomonocyclic compounds
Alternative Parents
  • alkyl sulfates
  • benzene and substituted derivatives
  • hydrocarbon derivatives
  • organic oxides
  • organooxygen compounds
  • sulfuric acid monoesters
    • Substituents
  • monocyclic benzene moiety
  • sulfuric acid monoester
  • organic sulfuric acid or derivatives
  • norlignan skeleton
  • aromatic homomonocyclic compound
  • organic oxide
  • organic oxygen compound
  • alkyl sulfate
  • sulfate-ester
  • hydrocarbon derivative
  • benzenoid
  • sulfuric acid ester
  • organooxygen compound